Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2323067 | 0.85 | ADORA2A (0.62) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| Ethylamine SCHEMBL27882003 | 0.79 | ADORA1 (0.60) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL2323881 | 0.79 | ADORA2A (0.67) | ADORA2AADORA1HSD17B10CSNK1A1CLK4 | |
| SCHEMBL2321488 | 0.77 | ADORA2A (0.65) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL2324852 | 0.75 | ADORA2A (0.63) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL27990333 | 0.74 | ADORA2A (0.66) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL2329578 | 0.74 | ADORA2A (1.00) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL2327016 | 0.74 | ADORA2A (0.58) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL2328626 | 0.74 | ADORA2A (0.80) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 | |
| SCHEMBL2322912 | 0.74 | ADORA2A (0.62) | ADORA2AADORA1ALDH1A1CASP1HSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102822150-A | 1,2, 4-triazin-4-amine derivatives | HEPTARES THERAPEUTICS LTD | 2012-12-12 | — | — | CN | claimed |
| CN-102822150-A | 1,2, 4-triazin-4-amine derivatives | HEPTARES THERAPEUTICS LTD | 2012-12-12 | — | — | CN | disclosed |